2-(3-cyanopropylsulfonyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide

C10H14N4O3S2 — CID 82531604

IUPAC2-(3-cyanopropylsulfonyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide
SMILESCCc1nnc(NC(=O)CS(=O)(=O)CCCC#N)s1
InChIInChI=1S/C10H14N4O3S2/c1-2-9-13-14-10(18-9)12-8(15)7-19(16,17)6-4-3-5-11/h2-4,6-7H2,1H3,(H,12,14,15)
InChIKeyQWTBMIIQZVNNMM-UHFFFAOYSA-N
MW302.38 g/mol
LogP0.76
Rot. Bonds7

About 2-(3-cyanopropylsulfonyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide

2-(3-cyanopropylsulfonyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide (PubChem CID 82531604) has the molecular formula C10H14N4O3S2 and a molecular weight of 302.38 g/mol. Its IUPAC name is 2-(3-cyanopropylsulfonyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-(3-cyanopropylsulfonyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide
PubChem CID82531604
Molecular FormulaC10H14N4O3S2
Molecular Weight302.38 g/mol
Exact Mass302.05
IUPAC Name2-(3-cyanopropylsulfonyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide
SMILESCCc1nnc(NC(=O)CS(=O)(=O)CCCC#N)s1
InChIInChI=1S/C10H14N4O3S2/c1-2-9-13-14-10(18-9)12-8(15)7-19(16,17)6-4-3-5-11/h2-4,6-7H2,1H3,(H,12,14,15)
InChIKeyQWTBMIIQZVNNMM-UHFFFAOYSA-N
XLogP0.76
TPSA112.81 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(2-cyanoethylsulfonyl)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide
CID 82531675
2-(3-cyanopropylsulfanyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide
CID 82531236
2-[2-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]sulfonyl-N-(3-methylphenyl)acetamide
CID 28695722
2-cyano-N-(5-ethyl-1,3,4-thiadiazol-2-yl)propanamide
CID 103668444
4-(2-oxopropylsulfonyl)butanenitrile
CID 82183186
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-(methylamino)propanamide
CID 107641879
2-cyano-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]acetamide
CID 110459577
3-(aminomethyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)pentanamide
CID 107641923
N-(2-chlorophenyl)-2-(3-cyanopropylsulfonyl)acetamide
CID 82531658
2-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]acetic acid
CID 107641511
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-(2,3,4,5,6-pentachlorophenoxy)acetamide
CID 19178155
2-(2-butoxyethoxy)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide
CID 11778819

Frequently Asked Questions

What is the IUPAC name of 2-(3-cyanopropylsulfonyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide?
The IUPAC name of 2-(3-cyanopropylsulfonyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide (CID 82531604) is 2-(3-cyanopropylsulfonyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide.
What is the SMILES notation for 2-(3-cyanopropylsulfonyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide?
The canonical SMILES for 2-(3-cyanopropylsulfonyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide is CCc1nnc(NC(=O)CS(=O)(=O)CCCC#N)s1.
What is the InChIKey of 2-(3-cyanopropylsulfonyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide?
The InChIKey is QWTBMIIQZVNNMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O3S2/c1-2-9-13-14-10(18-9)12-8(15)7-19(16,17)6-4-3-5-11/h2-4,6-7H2,1H3,(H,12,14,15).
What are the key properties of 2-(3-cyanopropylsulfonyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide?
2-(3-cyanopropylsulfonyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide has a molecular weight of 302.38 g/mol, XLogP of 0.76, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-cyanopropylsulfonyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide is sourced from PubChem (CID 82531604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).